ATOM 19
1 C1z C 30.0252 -20.6273
2 C1z C 29.5816 -19.2966
3 C1y C 31.4259 -20.6799
4 O2x O 30.7080 -21.8238
5 C1x C 28.8928 -21.4562
6 C1y C 28.1865 -19.2966
7 C2y C 30.7023 -18.4678
8 C1a C 29.2138 -17.9425
9 C1y C 31.8404 -19.2732
10 C1y C 27.7605 -20.6390
11 C1x C 27.0426 -18.4736
12 C2a C 30.7606 -17.0728
13 O1a O 32.5291 -18.0592
14 C1x C 26.3539 -20.6449
15 C1z C 25.9102 -19.3082
16 C6a C 24.6963 -18.6078
17 C1a C 24.9122 -20.2947
18 O6a O 23.4821 -19.3025
19 O6a O 24.6903 -17.2129
BOND 22
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 1 5 1
5 2 6 1
6 2 7 1
7 2 8 1 #Up
8 3 9 1
9 5 10 1
10 6 11 1
11 7 12 2
12 9 13 1 #Up
13 10 14 1
14 11 15 1
15 15 16 1 #Down
16 15 17 1 #Up
17 16 18 1
18 16 19 2
19 3 4 1 #Up
20 6 10 1
21 7 9 1
22 14 15 1
|